SCHEMBL1306289

SCHEMBL1306289

O=C(O)c1ccc(C=C(CNCc2ccc(OC(F)(F)F)cc2)COc2cccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.45
▸ PTGER4 P35408 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ MRGPRX4 Q96LA9 2/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ GCGR P47871 1/20 0.40
▸ CTNNB1 P35222 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1306287 1.00 P2RX3 (0.45) P2RX3PTGER4MEN1KMT2AMAPT
SCHEMBL1307529 0.92 P2RX3 (0.53) P2RX3MAPTKDM4EALDH1A1HPGD
SCHEMBL1307526 0.92 P2RX3 (0.53) P2RX3MAPTKDM4EALDH1A1HPGD
SCHEMBL1308972 0.82 P2RX3 (0.70) P2RX3MAPTALDH1A1TRPV1GCGR
SCHEMBL1308976 0.82 P2RX3 (0.70) P2RX3MAPTALDH1A1TRPV1GCGR
SCHEMBL5796084 0.79 P2RX3 (0.47) P2RX3MEN1KMT2AMAPTPOLB
SCHEMBL1306387 0.79 KMT2A (0.48) P2RX3MEN1KMT2AMAPTPOLB
SCHEMBL1306900 0.79 P2RX3 (0.46) P2RX3MEN1KMT2AMAPTPOLB
SCHEMBL1306385 0.79 KMT2A (0.48) P2RX3MEN1KMT2AMAPTPOLB
SCHEMBL1307069 0.76 P2RX3 (0.45) P2RX3MEN1KMT2AMAPTPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 — — EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 — — US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 — — US disclosed
EP-2089354-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Korea Research Institute Of Chemical Technology (KR) 2009-08-19 — — EP disclosed
WO-2008054154-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-05-08 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 P2RX3 4630/4885PTGER4 4046/4885MEN1 4379/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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